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IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| C5H10 | 2-Pentene, (Z)- | rCC | 1.561 | 4.266 | 2.705 |
| C5H10 | 2-Pentene, (Z)- | rCC | 1.338 | 3.829 | 2.491 |
| C4H10O | Propane, 2-methoxy- | rCC | 1.519 | 3.782 | 2.263 |
| C4H8S | Thiophene, tetrahydro- | rCC | 1.532 | 3.401 | 1.869 |
| C5H10 | 2-Pentene, (Z)- | rCC | 1.490 | 3.209 | 1.719 |
| C4H10O | Propane, 2-methoxy- | rCO | 1.422 | 3.071 | 1.649 |
| C4H10O | Propane, 2-methoxy- | rCH | 1.090 | 2.540 | 1.450 |
| C4H8S | Thiophene, tetrahydro- | rCH | 1.117 | 2.448 | 1.331 |
| Mg2 | Magnesium diatomic | rMgMg | 3.891 | 2.575 | -1.315 |
| C4H10O | Propane, 2-methoxy- | rCC | 1.528 | 2.787 | 1.259 |
| HBO | Boron hydride oxide | rBO | 1.200 | 2.381 | 1.181 |
| C2H5NO3 | Nitric acid, ethyl ester | rCO | 1.430 | 2.352 | 0.922 |
| C5H10 | 2-Pentene, (Z)- | rCH | 1.058 | 1.772 | 0.714 |
| C4H10O | Propane, 2-methoxy- | rCH | 1.095 | 1.769 | 0.674 |
| Be2 | Beryllium diatomic | rBeBe | 2.460 | 1.791 | -0.669 |
| Ne2 | Neon dimer | rNeNe | 3.100 | 2.605 | -0.495 |
| C5H10 | 2-Pentene, (Z)- | rCH | 1.092 | 1.534 | 0.442 |
| C4H6O2 | 2,3-Butanedione | rCH | 1.114 | 1.538 | 0.424 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.530 | 0.417 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.528 | 0.415 |
| C4H8S | Thiophene, tetrahydro- | rCS | 1.835 | 2.194 | 0.359 |
| C4H10O | Propane, 2-methoxy- | rCH | 1.095 | 1.417 | 0.322 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.406 | 0.311 |
| FO2 | Dioxygen monofluoride | rFO | 1.649 | 1.386 | -0.263 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.957 | 0.256 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.494 | -0.208 |
| B2 | Boron diatomic | rBB | 1.590 | 1.398 | -0.192 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.073 | -0.173 |
| FO | Oxygen monofluoride | rFO | 1.354 | 1.502 | 0.147 |
| CaH | Calcium monohydride | rHCa | 2.003 | 2.144 | 0.142 |
| NO3 | Nitrogen trioxide | rNO | 1.238 | 1.379 | 0.141 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.680 | 0.140 |
| CaCl | calcium monochloride | rClCa | 2.437 | 2.567 | 0.131 |
| N2O3 | Dinitrogen trioxide | rNN | 1.864 | 1.734 | -0.130 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.561 | 0.113 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.687 | -0.099 |
| CaOH | Calcium monohydroxide | rOCa | 1.976 | 2.072 | 0.096 |
| KH | Potassium hydride | rHK | 2.243 | 2.336 | 0.094 |
| CuF | Copper monofluoride | rCuF | 1.745 | 1.663 | -0.082 |
| He2+ | helium dimer cation | rHeHe | 1.081 | 1.162 | 0.081 |
| Na2 | Sodium diatomic | rNaNa | 3.079 | 3.158 | 0.080 |
| KCl | Potassium Chloride | rKCl | 2.667 | 2.743 | 0.076 |
| CaF | Calcuium monofluoride | rFCa | 1.967 | 2.041 | 0.074 |
| LiO | lithium oxide | rLiO | 1.688 | 1.615 | -0.073 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.314 | 0.072 |
| S2Cl2 | Disulfur dichloride | rSS | 1.931 | 2.002 | 0.071 |
| PCl5 | Phosphorus pentachloride | rPCl | 2.214 | 2.146 | -0.068 |
| B2 | Boron diatomic | rBB | 1.590 | 1.523 | -0.067 |
| CO | Carbon monoxide | rCO | 1.206 | 1.139 | -0.067 |
| CO | Carbon monoxide | rCO | 1.206 | 1.139 | -0.067 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.950 | 0.061 |
| PS | phosphorus sulfide | rPS | 1.900 | 1.839 | -0.061 |
| FO2 | Dioxygen monofluoride | rOO | 1.200 | 1.260 | 0.060 |
| Li2 | Lithium diatomic | rLiLi | 2.673 | 2.732 | 0.059 |
| CuH | Copper monohydride | rHCu | 1.463 | 1.404 | -0.058 |
| CH2ClCHCl2 | 1,1,2-trichloroethane | rCC | 1.580 | 1.522 | -0.058 |
| BHCl2 | Borane, dichloro- | rBH | 1.130 | 1.188 | 0.058 |
| LiH | Lithium Hydride | rLiH | 1.595 | 1.650 | 0.055 |
| CH2SHCH2SH | 1,2-Ethanedithiol | rSH | 1.400 | 1.347 | -0.053 |
| BrO | Bromine monoxide | rOBr | 1.718 | 1.771 | 0.053 |
| CH3CHNOH | Acetaldoxime | rCC | 1.550 | 1.497 | -0.053 |
| AlO | Aluminum monoxide | rAlO | 1.618 | 1.670 | 0.052 |
| FNO | Nitrosyl fluoride | rNF | 1.512 | 1.460 | -0.052 |